Sugi Predict

Sugi Predict / Compounds / SCHEMBL16769451

SCHEMBL16769451

SCHEMBL16769451

CCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 6/20 0.72
▸ KCNH2 Q12809 6/20 0.72
▸ CHRM2 P08172 4/20 0.72
▸ ADRA2A P08913 4/20 0.72
▸ ADRA1A P35348 4/20 0.72
▸ SLC6A2 P23975 4/20 0.72
▸ SLC6A4 P31645 4/20 0.72
▸ SLC6A3 Q01959 4/20 0.72
▸ CHRM1 P11229 3/20 0.72
▸ DRD1 P21728 3/20 0.72
▸ HTR1A P08908 2/20 0.72
▸ TBXA2R P21731 2/20 0.72
▸ BCL2 P10415 1/20 0.72
▸ HRH3 Q9Y5N1 1/20 0.72
▸ CYP2D6 P10635 4/20 0.70
▸ TDP1 Q9NUW8 2/20 0.70
▸ CYP2C19 P33261 2/20 0.70
▸ TSHR P16473 1/20 0.70
▸ HRH1 P35367 6/20 0.66
▸ USP2 O75604 4/20 0.66

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16769330 1.00 DRD3 (0.72) DRD3KCNH2CHRM2ADRA2AADRA1A
SCHEMBL13302837 1.00 DRD3 (0.72) DRD3KCNH2CHRM2ADRA2AADRA1A
SCHEMBL16769338 0.93 DRD3 (0.67) DRD3KCNH2CHRM2ADRA2AADRA1A
SCHEMBL16769339 0.93 DRD3 (0.67) DRD3KCNH2CHRM2ADRA2AADRA1A
SCHEMBL8371748 0.92 OPRD1 (0.67) DRD3KCNH2CHRM2ADRA2AADRA1A
SCHEMBL7670965 0.89 DRD3 (0.72) DRD3KCNH2CHRM2ADRA2AADRA1A
SCHEMBL13856459 0.89 KCNH2 (0.69) DRD3KCNH2CHRM2ADRA2AADRA1A
SCHEMBL16769328 0.89 KCNH2 (0.69) DRD3KCNH2CHRM2ADRA2AADRA1A
SCHEMBL16769449 0.89 KCNH2 (0.69) DRD3KCNH2CHRM2ADRA2AADRA1A
Hydrochloric Acid SCHEMBL9182337 0.87 CYP2D6 (0.68) DRD3KCNH2CHRM2ADRA2AADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001988-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2017-01-05 — — US disclosed
US-20170001988-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2017-01-05 — — US disclosed
CN-106029060-A piperidine and piperidine derivatives and their use in the treatment of viral infections and cancer 美国卫生和人力服务部 2016-10-12 — — CN disclosed
WO-2015080949-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-06-04 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170001988-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER NCOR1, RRP15, NCOA1 DRD3 584/4885KCNH2 1569/4885CHRM2 1157/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.